1-(1-adamantyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-(1-adamantyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-(1-adamantyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-(1-adamantyl)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-(1-adamantyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-(1-adamantyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C24H30N4O3/c29-21-22(30)28(24-13-17-10-18(14-24)12-19(11-17)15-24)23(31)27(21)16-25-6-8-26(9-7-25)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2/p+1